Molecule

ID:99018

General Information
Structure
MolImage
Molecular Formula
C₇HF₉N₂O
Molecular Mass
300.0812688
Exact Mass
299.99451664
Charge
0
InChI
InChI=1S/C7HF9N2O/c8-5(9,10)2-1-3(6(11,12)13)18(17-2)4(19)7(14,15)16/h1H
InChIKey
HZDXSZUXGKZNPR-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)n1nc(cc1C(F)(F)F)C(F)(F)F
Isomeric Smiles
n1c(cc(n1C(=O)C(F)(F)F)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.791116
LogD (pH = 7.4)
2.791116
Log P
2.791116
Molar Refractivity
41.4788
Polarizability
14.532378
Polar Surface Area
34.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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